Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 10/20 | 0.42 |
| ▸ | DRD2 | P14416 | 9/20 | 0.42 |
| ▸ | CCR2 | P41597 | 2/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5246942 | 0.96 | PRKAA2 (0.43) | DRD4MCHR1MEN1KMT2APRKAB2 | |
| Trifluoroacetic Acid SCHEMBL5245483 | 0.94 | DRD4 (0.42) | DRD4DRD2CCR2MCHR1MEN1 | |
| SCHEMBL5245243 | 0.88 | PRKAA2 (0.45) | DRD4MCHR1MEN1KMT2APRKAB2 | |
| SCHEMBL3113676 | 0.84 | ACKR3 (0.41) | — | |
| SCHEMBL5247332 | 0.82 | DRD2 (0.38) | DRD4DRD2 | |
| SCHEMBL5246767 | 0.81 | MIF (0.47) | MEN1ALDH1A1KMT2A | |
| SCHEMBL5245478 | 0.81 | ACKR3 (0.37) | DRD2 | |
| Trifluoroacetic Acid SCHEMBL5245793 | 0.80 | ALDH1A1 (0.44) | ALDH1A1ROCK2 | |
| Trifluoroacetic Acid SCHEMBL5245688 | 0.80 | BRD4 (0.41) | DRD2RIPK1 | |
| Trifluoroacetic Acid SCHEMBL5244499 | 0.80 | BRD4 (0.42) | MEN1ALDH1A1KMT2AROCK2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |